==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-JUL-06 2HO5 . COMPND 2 MOLECULE: OXIDOREDUCTASE, GFO/IDH/MOCA FAMILY; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR C.CHANG,C.HATZOS,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FOR . 610 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 46 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 1 0 1 2 1 1 4 3 1 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 4 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 2 4 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A X 0 0 135 0, 0.0 2,-0.3 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 148.7 -18.9 38.0 11.6 2 2 A L E -a 26 0A 7 23,-2.0 25,-2.6 1,-0.1 2,-0.5 -0.348 360.0-148.8 -82.4 122.7 -15.2 38.3 10.6 3 3 A K E -a 27 0A 110 -2,-0.3 62,-1.8 23,-0.2 61,-0.9 -0.736 21.3-153.2 -95.9 122.1 -14.2 38.9 7.0 4 4 A L E -ab 28 65A 0 23,-3.5 25,-3.5 -2,-0.5 26,-1.5 -0.794 17.5-167.6-111.2 129.2 -10.8 37.4 6.1 5 5 A G E -ab 30 66A 0 60,-2.5 62,-2.4 -2,-0.4 2,-0.4 -0.781 17.4-155.0 -97.5 152.2 -8.1 38.1 3.6 6 6 A V E -ab 31 67A 0 24,-2.4 26,-2.1 -2,-0.3 2,-0.4 -0.996 14.2-174.9-131.3 139.1 -5.3 35.6 3.1 7 7 A I E +ab 32 68A 4 60,-2.6 62,-1.8 -2,-0.4 26,-0.1 -0.964 60.5 55.8-120.7 144.4 -1.8 36.0 1.8 8 8 A G - 0 0 11 24,-0.7 62,-0.2 -2,-0.4 24,-0.1 0.446 56.4-155.2 96.5 120.3 0.2 32.8 1.3 9 9 A T + 0 0 44 60,-0.1 61,-0.1 4,-0.1 -1,-0.1 0.290 54.8 119.0-114.1 2.3 -1.0 30.0 -0.9 10 10 A G S >> S- 0 0 41 59,-0.3 3,-0.8 1,-0.1 4,-0.6 -0.132 83.7 -93.8 -54.8 163.0 1.0 27.2 0.9 11 11 A A H >> S+ 0 0 66 1,-0.2 4,-1.4 2,-0.2 3,-1.2 0.825 119.9 66.1 -44.1 -47.1 -0.9 24.3 2.5 12 12 A I H 3> S+ 0 0 59 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.827 92.4 59.4 -55.8 -39.1 -0.8 26.0 6.0 13 13 A S H <> S+ 0 0 0 -3,-0.8 4,-2.5 1,-0.2 -1,-0.3 0.865 105.1 52.2 -56.5 -35.3 -3.2 28.7 4.8 14 14 A H H S+ 0 0 0 -4,-2.6 6,-1.0 1,-0.2 5,-0.6 0.807 109.8 48.8 -62.9 -29.9 -11.4 29.5 10.9 21 21 A H H ><5S+ 0 0 72 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.914 107.3 56.2 -73.2 -34.5 -14.5 28.4 9.0 22 22 A T H 3<5S+ 0 0 112 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.733 100.8 56.7 -69.6 -27.5 -15.2 25.6 11.6 23 23 A S T 3<5S- 0 0 43 -4,-1.3 -1,-0.3 1,-0.0 -2,-0.2 0.653 102.0-136.0 -78.6 -13.8 -15.3 28.1 14.4 24 24 A G T < 5S+ 0 0 44 -3,-1.2 -3,-0.1 -4,-0.4 -2,-0.1 0.628 81.7 97.6 67.9 15.9 -18.1 30.0 12.6 25 25 A E S > S- 0 0 112 1,-0.1 4,-1.5 -3,-0.1 3,-0.7 -0.940 77.7-148.2-108.4 127.3 0.4 35.8 -9.8 36 36 A L H 3> S+ 0 0 71 -2,-0.5 4,-2.2 1,-0.2 -1,-0.1 0.807 96.3 61.5 -57.5 -36.3 -3.4 35.7 -10.1 37 37 A E H 3> S+ 0 0 132 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.760 101.9 51.3 -72.8 -29.1 -3.3 32.1 -11.4 38 38 A T H <> S+ 0 0 48 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.897 111.2 47.9 -65.1 -46.1 -1.8 30.8 -8.2 39 39 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.879 108.6 57.1 -62.1 -35.9 -4.5 32.6 -6.2 40 40 A A H X S+ 0 0 44 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.974 108.3 43.0 -63.9 -53.6 -7.1 31.1 -8.5 41 41 A T H < S+ 0 0 100 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.835 112.7 54.5 -59.7 -33.7 -6.1 27.5 -7.9 42 42 A F H >< S+ 0 0 11 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.932 112.6 43.9 -61.0 -42.2 -5.8 28.2 -4.2 43 43 A A H >< S+ 0 0 9 -4,-2.5 3,-3.4 1,-0.2 -2,-0.2 0.658 83.3 97.5 -76.5 -20.1 -9.4 29.5 -4.2 44 44 A S T 3< S+ 0 0 95 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.745 83.5 51.7 -43.9 -35.3 -11.0 26.8 -6.4 45 45 A R T < S+ 0 0 159 -3,-0.6 -1,-0.3 -4,-0.3 2,-0.2 0.437 109.6 55.8 -84.9 -1.9 -12.3 24.9 -3.3 46 46 A Y S < S- 0 0 36 -3,-3.4 2,-0.3 3,-0.0 3,-0.2 -0.768 74.0-137.4-121.9 171.9 -14.0 28.0 -1.8 47 47 A Q S S+ 0 0 175 -2,-0.2 -19,-0.1 1,-0.2 -2,-0.0 -0.946 71.0 31.6-133.7 157.4 -16.6 30.5 -3.1 48 48 A N S S+ 0 0 135 -2,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.917 81.3 152.1 68.9 46.5 -17.3 34.3 -3.2 49 49 A I - 0 0 34 -3,-0.2 2,-0.4 -19,-0.0 -19,-0.2 -0.934 41.3-143.6-120.7 119.6 -13.6 35.0 -3.2 50 50 A Q E -c 30 0A 111 -21,-2.3 -19,-2.7 -2,-0.5 2,-0.3 -0.654 16.1-147.2 -74.1 130.5 -11.9 38.0 -4.7 51 51 A L E -c 31 0A 62 -2,-0.4 2,-0.4 -21,-0.2 -19,-0.2 -0.753 16.9-172.4 -97.2 140.5 -8.5 37.4 -6.3 52 52 A F E +c 32 0A 24 -21,-1.7 -19,-2.2 -2,-0.3 -13,-0.1 -0.993 27.0 175.5-137.3 139.1 -5.8 40.0 -6.2 53 53 A D S S+ 0 0 76 -2,-0.4 2,-0.4 -21,-0.2 -1,-0.1 0.219 74.3 66.2-122.6 13.3 -2.3 40.5 -7.7 54 54 A Q S > S- 0 0 126 1,-0.1 4,-2.1 2,-0.0 -1,-0.1 -0.980 70.7-148.0-134.8 123.7 -1.6 44.0 -6.4 55 55 A L H > S+ 0 0 41 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.851 95.3 50.8 -61.9 -39.0 -1.1 44.4 -2.7 56 56 A E H > S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 109.3 50.0 -69.7 -42.3 -2.5 47.9 -2.4 57 57 A V H > S+ 0 0 84 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.944 111.4 52.6 -53.2 -47.7 -5.7 47.1 -4.3 58 58 A F H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.925 110.6 45.1 -52.1 -55.2 -6.0 44.1 -1.8 59 59 A F H 3< S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.737 106.3 59.3 -63.9 -26.2 -5.6 46.3 1.3 60 60 A K H 3< S+ 0 0 162 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.668 90.3 93.8 -76.1 -13.5 -8.1 48.9 -0.1 61 61 A S S << S- 0 0 18 -3,-1.0 2,-0.9 -4,-0.7 -31,-0.0 -0.326 87.7-104.7 -71.7 157.9 -10.7 46.1 -0.2 62 62 A S + 0 0 108 -2,-0.1 2,-0.3 -33,-0.1 -1,-0.1 -0.776 66.8 118.0-105.6 102.2 -13.0 45.7 2.7 63 63 A F - 0 0 5 -2,-0.9 -59,-0.2 -4,-0.2 3,-0.1 -0.902 55.8-133.5-137.2 157.0 -12.4 42.7 5.1 64 64 A D S S+ 0 0 77 -61,-0.9 24,-2.2 -2,-0.3 2,-0.3 0.825 80.9 33.3 -81.3 -29.8 -11.5 43.3 8.7 65 65 A L E -bd 4 88A 0 -62,-1.8 -60,-2.5 22,-0.3 2,-0.5 -0.985 59.2-155.6-143.8 128.8 -8.6 40.9 9.2 66 66 A V E -bd 5 89A 0 22,-2.7 24,-1.8 -2,-0.3 2,-0.5 -0.947 7.8-153.8-114.0 128.7 -5.7 39.6 7.1 67 67 A Y E -bd 6 90A 0 -62,-2.4 -60,-2.6 -2,-0.5 2,-0.6 -0.871 15.5-159.1 -96.7 123.2 -3.9 36.3 7.8 68 68 A I E +bd 7 91A 0 22,-2.9 24,-2.4 -2,-0.5 -60,-0.2 -0.891 30.3 152.5-111.6 117.6 -0.4 36.3 6.5 69 69 A A + 0 0 12 -62,-1.8 -59,-0.3 -2,-0.6 -56,-0.1 -0.084 32.8 129.4-132.3 39.0 1.6 33.1 5.7 70 70 A S S S- 0 0 7 1,-0.2 2,-0.2 -62,-0.2 5,-0.1 -0.044 76.2 -56.3 -72.3 179.8 4.0 34.3 3.1 71 71 A P >> - 0 0 86 0, 0.0 3,-2.6 0, 0.0 4,-0.7 -0.509 60.9-110.0 -58.5 133.8 7.7 33.7 3.3 72 72 A N H >> S+ 0 0 13 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.713 113.2 59.0 -33.4 -47.7 9.1 35.1 6.6 73 73 A S H 34 S+ 0 0 95 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.725 104.0 52.9 -69.6 -20.4 11.1 38.0 5.1 74 74 A L H <> S+ 0 0 83 -3,-2.6 4,-2.0 1,-0.1 -1,-0.3 0.704 88.3 85.1 -79.5 -20.3 8.0 39.4 3.5 75 75 A H H S+ 0 0 62 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.882 117.8 46.5 -60.2 -34.1 6.7 44.8 5.1 78 78 A Q H X S+ 0 0 18 -4,-2.0 4,-3.2 2,-0.2 -1,-0.2 0.913 112.2 48.1 -79.2 -44.5 3.3 43.2 4.5 79 79 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 -5,-0.3 5,-0.4 0.985 109.6 54.9 -53.8 -55.9 2.1 43.5 8.1 80 80 A K H X S+ 0 0 88 -4,-3.0 4,-2.0 -5,-0.3 -2,-0.2 0.873 112.8 41.9 -46.9 -44.8 3.2 47.1 8.1 81 81 A A H X S+ 0 0 26 -4,-1.8 4,-1.0 -5,-0.2 -1,-0.2 0.961 112.3 54.7 -68.5 -47.2 1.1 47.8 5.0 82 82 A A H ><>S+ 0 0 0 -4,-3.2 5,-2.1 1,-0.2 3,-0.6 0.873 112.0 42.6 -50.9 -48.8 -1.8 45.8 6.3 83 83 A L H ><5S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.860 110.3 56.5 -70.1 -37.1 -2.0 47.7 9.6 84 84 A S H 3<5S+ 0 0 64 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.671 106.5 53.1 -64.2 -15.8 -1.5 51.1 7.8 85 85 A A T <<5S- 0 0 34 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.378 123.6-104.9-104.6 4.8 -4.5 50.1 5.8 86 86 A G T < 5S+ 0 0 40 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.627 75.8 132.1 87.0 15.5 -6.7 49.5 8.9 87 87 A K < - 0 0 28 -5,-2.1 -1,-0.3 -6,-0.2 -22,-0.3 -0.817 58.1-124.9 -93.9 137.3 -6.7 45.7 8.8 88 88 A H E -d 65 0A 32 -24,-2.2 -22,-2.7 -2,-0.4 2,-0.3 -0.526 34.2-145.2 -64.4 152.8 -6.0 43.6 11.9 89 89 A V E -de 66 116A 0 26,-2.5 28,-1.8 -24,-0.2 2,-0.4 -0.933 19.7-167.9-128.6 143.5 -3.2 41.3 11.1 90 90 A I E -de 67 117A 0 -24,-1.8 -22,-2.9 -2,-0.3 2,-0.5 -0.994 17.2-155.3-132.1 129.2 -2.4 37.7 12.2 91 91 A L E -de 68 118A 0 26,-2.5 28,-3.2 -2,-0.4 4,-0.2 -0.895 6.5-145.8-116.3 123.5 1.1 36.6 11.4 92 92 A E - 0 0 4 -24,-2.4 28,-0.1 -2,-0.5 -23,-0.0 -0.115 58.0 -2.8 -70.3 176.0 2.0 32.9 11.0 93 93 A K S S- 0 0 60 26,-0.4 2,-0.7 1,-0.1 3,-0.1 -0.120 134.1 -0.8 69.6-135.3 5.1 30.9 11.7 94 94 A P S S- 0 0 0 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.912 77.9-146.9 -80.8 112.3 7.8 33.2 13.1 95 95 A A S S+ 0 0 0 -2,-0.7 2,-0.3 -4,-0.2 -3,-0.1 0.911 72.4 14.2 -48.4 -45.4 5.9 36.5 12.9 96 96 A V - 0 0 1 -21,-0.1 -23,-0.1 -5,-0.1 -24,-0.1 -0.852 63.4-125.3-137.7 168.2 9.2 38.3 12.1 97 97 A S S S+ 0 0 24 -2,-0.3 207,-0.1 -25,-0.2 -1,-0.1 0.706 94.5 6.5 -83.4 -26.2 12.8 38.1 11.1 98 98 A Q S >> S- 0 0 76 1,-0.1 4,-0.9 195,-0.0 3,-0.6 -0.992 77.8-101.1-159.4 163.9 14.1 40.0 14.1 99 99 A P H >> S+ 0 0 21 0, 0.0 4,-1.3 0, 0.0 3,-1.0 0.882 113.2 54.1 -57.9 -51.5 13.0 41.6 17.4 100 100 A Q H 3> S+ 0 0 113 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.860 100.4 63.5 -50.4 -41.0 12.7 45.3 16.5 101 101 A E H <> S+ 0 0 31 -3,-0.6 4,-2.4 1,-0.3 -1,-0.3 0.860 99.9 52.5 -51.8 -44.4 10.4 44.3 13.6 102 102 A W H S+ 0 0 0 -4,-2.9 5,-2.0 -5,-0.2 4,-0.3 0.961 113.5 46.7 -68.0 -53.0 -0.7 48.6 15.1 110 110 A E H ><5S+ 0 0 100 -4,-3.6 3,-2.0 1,-0.2 -2,-0.2 0.940 111.2 50.3 -51.3 -56.9 -1.3 51.0 17.9 111 111 A K H 3<5S+ 0 0 170 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.830 116.5 42.4 -51.6 -39.1 -1.2 54.2 15.8 112 112 A N T 3<5S- 0 0 48 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.296 110.8-121.5 -96.0 7.5 -3.7 52.6 13.4 113 113 A N T < 5 + 0 0 148 -3,-2.0 2,-0.3 -4,-0.3 -3,-0.2 0.879 68.5 119.1 53.6 49.4 -5.9 51.2 16.1 114 114 A C < - 0 0 13 -5,-2.0 2,-0.2 -6,-0.1 -1,-0.2 -0.915 61.3-104.5-132.9 165.6 -5.8 47.5 15.0 115 115 A F - 0 0 25 -2,-0.3 -26,-2.5 -5,-0.0 2,-0.4 -0.567 19.7-165.8 -87.0 153.1 -4.6 44.1 16.5 116 116 A I E +e 89 0A 0 -2,-0.2 2,-0.4 -28,-0.2 -26,-0.2 -0.986 15.7 179.7-136.9 116.8 -1.5 42.2 15.5 117 117 A F E -e 90 0A 4 -28,-1.8 -26,-2.5 -2,-0.4 2,-0.5 -0.950 26.1-134.6-119.7 143.9 -1.4 38.6 16.7 118 118 A E E -e 91 0A 8 -2,-0.4 2,-3.1 -28,-0.2 -26,-0.2 -0.884 24.8-128.6 -93.0 130.4 1.3 35.9 16.3 119 119 A A + 0 0 1 -28,-3.2 2,-1.3 -2,-0.5 -26,-0.4 -0.258 47.9 158.2 -79.6 61.0 -0.4 32.7 15.2 120 120 A A > - 0 0 7 -2,-3.1 4,-0.9 1,-0.2 3,-0.1 -0.694 19.5-173.1 -80.1 89.7 1.4 30.8 17.9 121 121 A R T 4 S+ 0 0 27 -2,-1.3 3,-0.4 1,-0.2 4,-0.2 0.823 77.2 49.9 -60.2 -35.5 -1.0 27.8 18.1 122 122 A N T >4 S+ 0 0 0 1,-0.2 3,-1.8 2,-0.2 6,-0.3 0.905 101.4 64.0 -79.8 -34.1 0.4 26.0 21.1 123 123 A Y T 34 S+ 0 0 12 1,-0.3 -1,-0.2 -3,-0.1 -2,-0.2 0.781 102.6 48.8 -52.3 -35.1 0.5 29.2 23.2 124 124 A H T 3< S+ 0 0 28 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.414 82.4 127.3 -93.6 5.5 -3.3 29.5 23.1 125 125 A E X> - 0 0 5 -3,-1.8 4,-0.9 -4,-0.2 3,-0.8 -0.340 64.0-135.6 -62.2 137.8 -3.9 25.8 24.1 126 126 A K H 3> S+ 0 0 152 1,-0.2 4,-1.6 128,-0.2 3,-0.2 0.926 102.8 70.5 -56.2 -41.8 -6.3 25.3 27.1 127 127 A A H 3> S+ 0 0 8 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.776 90.5 56.8 -44.5 -45.2 -3.6 22.8 28.2 128 128 A F H <> S+ 0 0 0 -3,-0.8 4,-4.6 -6,-0.3 5,-0.3 0.978 105.1 48.6 -57.2 -58.4 -1.1 25.5 29.1 129 129 A T H X S+ 0 0 65 -4,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.899 113.2 51.0 -46.1 -39.9 -3.3 27.3 31.5 130 130 A T H X S+ 0 0 31 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.958 115.7 39.7 -67.1 -46.6 -4.0 23.9 33.0 131 131 A I H X S+ 0 0 0 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.898 112.4 56.8 -64.7 -43.2 -0.3 23.1 33.3 132 132 A K H X S+ 0 0 98 -4,-4.6 4,-0.5 1,-0.2 -1,-0.2 0.890 108.7 47.5 -59.3 -37.7 0.5 26.6 34.4 133 133 A N H >X S+ 0 0 111 -4,-2.3 3,-1.0 -5,-0.3 4,-0.6 0.885 106.9 55.8 -64.9 -44.2 -1.9 26.3 37.3 134 134 A F H 3< S+ 0 0 41 -4,-1.7 3,-0.3 1,-0.3 -1,-0.2 0.793 109.5 46.7 -64.0 -29.0 -0.6 23.0 38.3 135 135 A L H >< S+ 0 0 18 -4,-1.7 3,-0.7 1,-0.2 -1,-0.3 0.476 85.8 89.0 -95.3 -6.7 2.9 24.5 38.6 136 136 A A H << S+ 0 0 85 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.931 98.8 36.3 -52.4 -44.4 1.9 27.6 40.6 137 137 A D T 3< S+ 0 0 136 -4,-0.6 -1,-0.2 -3,-0.3 2,-0.2 0.378 107.3 81.9 -98.2 9.1 2.3 25.7 43.8 138 138 A K S < S- 0 0 59 -3,-0.7 2,-0.6 86,-0.0 -3,-0.0 -0.596 77.5-124.6 -94.9 167.2 5.4 23.6 42.7 139 139 A Q - 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0 0 197 -2,-0.9 2,-0.2 -115,-0.1 3,-0.0 -0.832 20.7-147.2 -99.5 141.6 22.4 34.7 9.6 304 321 A F - 0 0 45 -2,-0.4 2,-0.3 1,-0.1 -115,-0.0 -0.611 51.4 -66.4 -88.9 160.8 19.8 35.3 6.9 305 322 A E 0 0 110 -2,-0.2 -1,-0.1 0, 0.0 0, 0.0 -0.354 360.0 360.0 -46.3 109.8 20.4 37.2 3.6 306 323 A A 0 0 143 -2,-0.3 -3,-0.0 -3,-0.0 0, 0.0 -0.964 360.0 360.0 99.6 360.0 21.0 40.7 5.3 307 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 308 1 B X 0 0 155 0, 0.0 2,-0.6 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 153.6 40.5 -17.4 40.6 309 2 B L E -m 333 0C 22 23,-1.8 25,-2.6 61,-0.0 2,-0.2 -0.938 360.0-130.2-108.4 116.8 41.7 -13.8 40.9 310 3 B K E -m 334 0C 91 -2,-0.6 62,-1.9 23,-0.2 61,-0.6 -0.441 30.0-152.1 -67.4 128.6 42.6 -12.6 44.5 311 4 B L E -mn 335 372C 0 23,-3.1 25,-2.9 -2,-0.2 26,-1.5 -0.906 19.0-169.8-125.3 123.0 40.9 -9.3 45.2 312 5 B G E -mn 337 373C 0 60,-1.8 62,-3.3 -2,-0.5 2,-0.4 -0.782 13.3-156.3-101.2 145.2 41.6 -6.2 47.4 313 6 B V - 0 0 0 24,-2.6 2,-0.3 -2,-0.3 26,-0.3 -0.728 14.6-176.9-134.2 83.7 39.0 -3.5 48.0 314 7 B I + 0 0 4 -2,-0.4 62,-2.5 24,-0.2 26,-0.1 -0.636 63.1 66.4 -64.6 134.2 39.7 0.1 49.0 315 8 B G - 0 0 6 24,-0.9 62,-0.2 -2,-0.3 24,-0.1 0.206 56.1-158.7 117.4 125.6 36.2 1.6 49.5 316 9 B T + 0 0 53 60,-0.2 61,-0.1 4,-0.0 -1,-0.0 0.461 54.5 107.9-116.9 -1.0 33.6 0.8 52.1 317 10 B G S >> S- 0 0 42 59,-0.4 3,-1.3 1,-0.1 4,-0.7 -0.170 86.9 -95.7 -65.0 166.4 30.3 2.1 50.5 318 11 B A H 3> S+ 0 0 61 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.662 120.2 71.1 -58.8 -21.2 27.5 -0.3 49.2 319 12 B I H 3> S+ 0 0 72 1,-0.2 4,-3.1 2,-0.2 -1,-0.3 0.879 96.7 52.3 -62.4 -35.5 29.0 0.0 45.6 320 13 B S H <> S+ 0 0 0 -3,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.801 110.0 49.2 -70.0 -25.9 31.9 -2.1 47.0 321 14 B H H X S+ 0 0 26 -4,-0.7 4,-2.9 2,-0.2 -2,-0.2 0.988 113.2 44.3 -71.0 -56.0 29.2 -4.5 48.1 322 15 B H H X S+ 0 0 114 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.891 112.7 53.1 -53.4 -46.5 27.4 -4.6 44.7 323 16 B F H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.949 111.1 46.6 -51.0 -55.7 30.8 -4.9 43.0 324 17 B I H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 5,-0.2 0.893 106.7 56.3 -57.5 -43.7 31.7 -7.9 45.1 325 18 B E H X S+ 0 0 121 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.925 111.7 45.0 -55.7 -38.6 28.4 -9.6 44.6 326 19 B A H X S+ 0 0 3 -4,-1.9 4,-1.1 -3,-0.2 -2,-0.2 0.940 111.4 50.3 -70.0 -49.3 29.0 -9.5 40.9 327 20 B A H <>S+ 0 0 0 -4,-2.3 6,-0.9 2,-0.2 5,-0.9 0.663 115.5 45.8 -60.7 -21.6 32.6 -10.6 41.0 328 21 B H H ><5S+ 0 0 83 -4,-1.7 3,-1.4 -5,-0.2 -2,-0.2 0.907 106.8 53.8 -86.3 -52.9 31.4 -13.5 43.2 329 22 B T H 3<5S+ 0 0 110 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.738 106.3 60.8 -46.9 -22.8 28.4 -14.5 41.0 330 23 B S T 3<5S- 0 0 36 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.824 94.9-144.0 -80.3 -35.7 31.1 -14.6 38.3 331 24 B G T < 5S+ 0 0 43 -3,-1.4 -3,-0.1 -4,-0.5 -2,-0.1 0.903 78.2 93.4 71.2 43.4 33.2 -17.3 39.8 332 25 B E S > S- 0 0 131 1,-0.2 4,-1.1 -3,-0.1 3,-1.0 -0.842 73.1-155.6 -94.7 118.7 39.8 3.2 60.3 343 36 B L H >> S+ 0 0 75 -2,-0.5 4,-1.4 1,-0.3 3,-0.7 0.898 98.2 65.5 -51.7 -45.6 40.0 -0.6 60.9 344 37 B E H 3> S+ 0 0 149 1,-0.3 4,-0.8 2,-0.2 -1,-0.3 0.786 105.4 43.4 -44.6 -35.3 36.6 -0.1 62.7 345 38 B T H <4 S+ 0 0 44 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.773 109.5 59.4 -80.7 -25.9 35.2 0.8 59.2 346 39 B A H << S+ 0 0 0 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.569 111.5 35.6 -85.1 -14.3 37.2 -2.1 57.6 347 40 B A H X S+ 0 0 43 -4,-1.4 4,-1.2 2,-0.2 3,-0.3 0.618 104.1 66.8-111.6 -19.1 35.6 -5.1 59.6 348 41 B T T < S+ 0 0 105 -4,-0.8 -2,-0.1 -5,-0.4 -3,-0.1 0.433 108.1 48.9 -70.8 1.8 32.1 -3.6 59.9 349 42 B F T 4 S+ 0 0 5 -11,-0.0 3,-0.3 2,-0.0 4,-0.2 0.617 106.6 53.6-109.6 -25.0 32.4 -4.3 56.1 350 43 B A T >4 S+ 0 0 12 -3,-0.3 3,-1.1 1,-0.2 -2,-0.2 0.758 72.8 97.2 -85.9 -30.1 33.7 -7.9 56.2 351 44 B S T 3< S+ 0 0 106 -4,-1.2 -1,-0.2 1,-0.3 3,-0.1 0.544 81.4 55.0 -50.4 -16.5 31.2 -9.8 58.4 352 45 B R T 3 S+ 0 0 147 -3,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.924 109.4 45.0 -81.3 -46.9 29.2 -11.2 55.4 353 46 B Y S < S- 0 0 42 -3,-1.1 3,-0.3 -4,-0.2 -1,-0.2 -0.874 88.7-135.1 -99.5 124.1 32.1 -12.9 53.6 354 47 B Q S S+ 0 0 162 -2,-0.5 -2,-0.0 1,-0.2 -3,-0.0 -0.265 71.5 32.5 -74.8 161.2 34.5 -14.9 55.8 355 48 B N S S+ 0 0 166 1,-0.2 2,-0.4 -2,-0.0 -1,-0.2 0.729 73.8 144.0 73.3 33.6 38.4 -14.9 55.9 356 49 B I - 0 0 23 -3,-0.3 -19,-0.2 -6,-0.1 -1,-0.2 -0.878 40.1-135.2-114.2 135.4 39.3 -11.4 54.9 357 50 B Q E -o 337 0C 115 -21,-1.5 -19,-1.8 -2,-0.4 2,-0.4 -0.302 12.9-139.3 -84.9 163.7 42.2 -9.3 56.2 358 51 B L E -o 338 0C 61 -21,-0.2 2,-0.4 -2,-0.1 -19,-0.2 -0.966 15.6-175.0-131.0 137.8 42.1 -5.7 57.4 359 52 B F E +o 339 0C 16 -21,-1.6 -19,-2.0 -2,-0.4 3,-0.0 -0.999 22.2 175.0-135.6 127.4 44.7 -3.0 56.8 360 53 B D S S+ 0 0 70 -2,-0.4 2,-0.7 -21,-0.2 -1,-0.1 0.488 74.7 82.4 -95.7 -13.5 44.7 0.5 58.1 361 54 B Q > - 0 0 110 1,-0.2 4,-2.0 -3,-0.1 5,-0.1 -0.823 67.5-158.0 -98.5 113.8 48.1 0.8 56.4 362 55 B L H > S+ 0 0 47 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.887 94.8 43.6 -55.6 -43.0 48.0 1.6 52.7 363 56 B E H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.881 111.6 51.9 -75.7 -34.7 51.5 0.3 52.1 364 57 B V H 4 S+ 0 0 87 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.763 108.9 55.4 -70.6 -25.0 51.1 -2.9 54.2 365 58 B F H >< S+ 0 0 0 -4,-2.0 3,-1.3 2,-0.1 -2,-0.2 0.980 112.9 37.9 -63.5 -59.6 47.9 -3.4 52.1 366 59 B F H 3< S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.3 4,-0.2 0.818 106.2 65.4 -66.0 -33.4 49.7 -3.3 48.7 367 60 B K T 3< S+ 0 0 177 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.1 0.368 93.2 99.4 -68.4 8.3 52.8 -5.2 50.1 368 61 B S S < S- 0 0 26 -3,-1.3 2,-0.9 -5,-0.1 -3,-0.1 -0.329 86.8 -92.7 -93.7 173.3 50.2 -8.1 50.4 369 62 B S S S+ 0 0 92 -2,-0.1 2,-0.3 -33,-0.1 -2,-0.1 -0.781 74.5 102.9 -95.1 97.8 49.4 -11.2 48.3 370 63 B F - 0 0 5 -2,-0.9 -59,-0.1 -4,-0.2 3,-0.1 -0.914 59.1-133.3-166.2 155.3 46.6 -10.5 45.8 371 64 B D S S+ 0 0 50 -61,-0.6 24,-2.5 -2,-0.3 2,-0.4 0.897 80.7 13.5 -85.5 -43.3 46.4 -9.8 42.0 372 65 B L E -np 311 395C 1 -62,-1.9 -60,-1.8 22,-0.2 2,-0.4 -0.986 60.7-145.2-140.6 148.0 44.1 -6.9 41.5 373 66 B V E -np 312 396C 0 22,-2.8 24,-2.4 -2,-0.4 2,-0.7 -0.904 9.4-145.0-112.5 138.7 42.5 -4.2 43.7 374 67 B Y E - p 0 397C 0 -62,-3.3 2,-0.6 -2,-0.4 24,-0.2 -0.904 21.0-158.3-100.5 103.2 39.1 -2.7 43.2 375 68 B I E + p 0 398C 0 22,-1.2 24,-2.7 -2,-0.7 -60,-0.2 -0.736 30.6 151.1 -97.9 116.6 39.3 1.0 44.2 376 69 B A + 0 0 12 -62,-2.5 -59,-0.4 -2,-0.6 -60,-0.2 -0.246 26.3 132.8-138.0 40.3 36.0 2.8 45.2 377 70 B S S S- 0 0 6 1,-0.2 5,-0.1 -62,-0.2 2,-0.1 -0.151 77.8 -60.9 -69.4 175.2 37.2 5.5 47.7 378 71 B P >> - 0 0 87 0, 0.0 3,-2.0 0, 0.0 4,-0.8 -0.489 62.6-104.7 -56.9 144.6 35.9 9.0 47.2 379 72 B N H >> S+ 0 0 12 1,-0.3 4,-0.6 2,-0.2 3,-0.6 0.739 114.1 64.0 -35.7 -46.7 37.1 10.2 43.8 380 73 B S H 34 S+ 0 0 96 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.637 104.8 46.3 -64.5 -17.3 39.9 12.6 45.0 381 74 B L H <> S+ 0 0 80 -3,-2.0 4,-2.7 2,-0.1 5,-0.3 0.709 89.4 87.8 -94.3 -26.6 41.9 9.7 46.5 382 75 B H H S+ 0 0 66 -4,-0.3 4,-1.3 -3,-0.2 -1,-0.2 0.861 118.1 47.4 -65.5 -37.5 47.0 8.5 44.5 385 78 B Q H X S+ 0 0 14 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.920 113.0 47.0 -72.0 -43.5 45.7 5.0 45.6 386 79 B A H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.3 -2,-0.2 0.917 110.3 55.0 -59.1 -44.0 45.7 3.6 42.0 387 80 B K H X S+ 0 0 71 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.842 111.2 43.0 -61.7 -36.2 49.3 4.9 41.5 388 81 B A H X S+ 0 0 25 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.920 111.3 55.1 -76.0 -40.1 50.5 3.2 44.5 389 82 B A H <>S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 -2,-0.2 0.900 113.3 43.1 -52.2 -44.4 48.6 0.0 43.6 390 83 B L H ><5S+ 0 0 0 -4,-2.5 3,-2.3 3,-0.2 -2,-0.2 0.927 110.1 53.0 -70.7 -52.9 50.4 0.1 40.2 391 84 B S H 3<5S+ 0 0 65 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.723 109.1 54.3 -52.9 -25.1 53.9 0.9 41.6 392 85 B A T 3<5S- 0 0 35 -4,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.432 123.0-107.9 -93.6 0.3 53.3 -2.1 43.8 393 86 B G T < 5S+ 0 0 35 -3,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.610 71.6 136.3 91.5 16.5 52.6 -4.4 40.9 394 87 B K < - 0 0 38 -5,-2.7 -1,-0.2 -6,-0.2 -22,-0.2 -0.809 55.7-121.6-104.6 133.9 48.8 -4.8 41.3 395 88 B H E -p 372 0C 33 -24,-2.5 -22,-2.8 -2,-0.4 2,-0.4 -0.463 36.1-151.6 -66.7 146.8 46.1 -4.7 38.6 396 89 B V E -pq 373 423C 0 26,-2.0 28,-1.8 -24,-0.3 2,-0.5 -0.981 22.9-166.4-132.0 131.0 43.6 -2.0 39.4 397 90 B I E -pq 374 424C 1 -24,-2.4 -22,-1.2 -2,-0.4 2,-0.4 -0.923 19.7-158.7-111.2 100.8 39.9 -1.4 38.7 398 91 B L E -pq 375 425C 0 26,-2.7 28,-3.6 -2,-0.5 -22,-0.2 -0.654 10.8-153.5 -83.3 133.7 39.0 2.2 39.5 399 92 B E + 0 0 9 -24,-2.7 -1,-0.1 -2,-0.4 27,-0.1 0.192 55.7 11.8 -85.1-159.3 35.3 2.9 40.1 400 93 B K S S- 0 0 53 26,-0.1 2,-0.5 25,-0.1 26,-0.1 0.139 133.1 -10.7 38.2-136.5 33.0 6.0 39.7 401 94 B P S S- 0 0 2 0, 0.0 -2,-0.1 0, 0.0 -19,-0.1 -0.821 74.5-141.7 -77.2 130.6 35.0 8.5 37.7 402 95 B A S S- 0 0 0 -2,-0.5 2,-0.2 -4,-0.2 -3,-0.1 0.895 72.6 -2.1 -63.5 -37.5 38.6 7.2 37.6 403 96 B V - 0 0 1 -21,-0.1 -23,-0.1 -5,-0.1 -24,-0.1 -0.797 59.1-125.7-145.2 176.5 40.5 10.5 38.0 404 97 B S S S+ 0 0 27 1,-0.3 208,-0.1 -2,-0.2 3,-0.1 0.571 94.9 29.2-109.3 -13.1 39.7 14.2 38.3 405 98 B Q S >> S- 0 0 75 1,-0.1 3,-1.0 -3,-0.0 4,-0.8 -0.989 77.5-119.9-145.3 151.0 41.8 15.2 35.4 406 99 B P H >> S+ 0 0 17 0, 0.0 4,-1.8 0, 0.0 3,-1.4 0.890 108.5 61.2 -54.7 -46.3 43.0 13.7 32.1 407 100 B Q H 3> S+ 0 0 117 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.781 99.0 58.2 -54.9 -29.5 46.8 13.9 32.9 408 101 B E H <> S+ 0 0 23 -3,-1.0 4,-1.6 2,-0.2 -1,-0.3 0.847 106.2 48.6 -71.9 -30.2 46.2 11.6 35.9 409 102 B W H X>S+ 0 0 0 -4,-2.0 5,-1.0 1,-0.2 4,-0.9 0.960 108.2 45.7 -60.7 -56.5 50.8 0.8 34.5 417 110 B E H 3<5S+ 0 0 107 -4,-2.9 3,-0.3 1,-0.3 -1,-0.2 0.813 110.8 56.2 -57.8 -34.5 53.0 -0.2 31.5 418 111 B K H 3<5S+ 0 0 162 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.782 114.5 36.7 -70.3 -30.2 56.1 0.3 33.6 419 112 B N H <<5S- 0 0 45 -4,-1.2 -1,-0.2 -3,-0.9 -2,-0.2 0.424 111.5-113.1-103.6 0.8 55.0 -2.2 36.3 420 113 B N T <5S+ 0 0 138 -4,-0.9 2,-0.3 -3,-0.3 -3,-0.2 0.997 72.5 123.7 59.5 68.6 53.3 -4.8 34.0 421 114 B C < - 0 0 9 -5,-1.0 2,-0.4 -27,-0.1 -1,-0.2 -0.963 57.5-121.8-147.5 158.7 49.8 -4.3 35.2 422 115 B F - 0 0 24 -2,-0.3 -26,-2.0 -5,-0.0 2,-0.4 -0.827 17.4-163.7-101.7 145.0 46.4 -3.4 33.8 423 116 B I E -q 396 0C 0 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.971 14.1-179.0-119.0 140.6 44.4 -0.4 35.0 424 117 B F E -q 397 0C 5 -28,-1.8 -26,-2.7 -2,-0.4 2,-0.4 -0.993 26.5-135.0-134.5 141.1 40.7 -0.3 34.1 425 118 B E E -q 398 0C 9 -2,-0.3 2,-1.9 -28,-0.2 -26,-0.2 -0.788 29.6-124.1 -80.4 138.8 38.0 2.2 34.8 426 119 B A + 0 0 3 -28,-3.6 2,-1.5 -2,-0.4 3,-0.1 -0.417 45.4 164.6 -83.7 69.7 34.9 0.3 36.0 427 120 B A > - 0 0 8 -2,-1.9 4,-0.7 1,-0.2 3,-0.2 -0.632 14.0-174.9 -80.8 83.1 32.7 1.8 33.2 428 121 B R T >4 S+ 0 0 30 -2,-1.5 3,-1.0 1,-0.2 -1,-0.2 0.864 77.9 46.4 -57.1 -43.2 29.8 -0.7 33.6 429 122 B N G >4 S+ 0 0 1 1,-0.2 3,-2.3 2,-0.2 6,-0.3 0.917 102.3 66.7 -66.0 -34.4 27.7 0.5 30.7 430 123 B Y G 34 S+ 0 0 14 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.657 101.1 49.4 -59.2 -19.6 30.7 0.6 28.4 431 124 B H G << S+ 0 0 29 -3,-1.0 -1,-0.3 -4,-0.7 2,-0.2 0.239 81.0 126.5-106.4 14.4 31.1 -3.2 28.6 432 125 B E X> - 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0 0 81 -5,-0.1 4,-2.2 1,-0.1 3,-0.5 -0.798 7.0-174.0-143.0 90.8 44.1 -9.0 24.3 584 293 B L H > S+ 0 0 102 -2,-0.3 4,-3.1 1,-0.3 5,-0.2 0.811 79.2 55.4 -70.3 -36.3 46.3 -5.8 24.2 585 294 B N H > S+ 0 0 136 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.869 112.9 47.5 -60.3 -33.1 44.8 -4.0 21.1 586 295 B L H >> S+ 0 0 71 -3,-0.5 4,-1.6 2,-0.2 3,-0.7 0.942 109.8 51.5 -70.6 -49.4 41.5 -4.3 23.1 587 296 B Y H >X S+ 0 0 17 -4,-2.2 4,-3.0 1,-0.3 3,-0.7 0.923 108.4 51.5 -50.9 -50.5 43.1 -3.1 26.3 588 297 B Q H 3X S+ 0 0 90 -4,-3.1 4,-1.9 1,-0.3 -1,-0.3 0.732 106.4 54.3 -65.4 -23.0 44.5 -0.1 24.4 589 298 B T H S+ 0 0 15 -4,-2.6 5,-2.2 -5,-0.2 4,-1.4 0.938 109.4 52.1 -57.4 -47.5 33.6 21.1 34.0 606 315 B Q H <5S+ 0 0 111 -4,-1.8 3,-0.5 2,-0.3 -1,-0.2 0.887 108.1 49.1 -61.0 -42.6 35.7 24.1 32.8 607 316 B T H <5S+ 0 0 64 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.931 118.9 41.6 -61.0 -38.8 32.9 25.4 30.6 608 317 B A H <5S- 0 0 11 -4,-2.3 -2,-0.3 -5,-0.1 -117,-0.2 0.547 109.9-122.5 -82.4 -8.1 30.6 25.0 33.6 609 318 B G T <5 + 0 0 13 -4,-1.4 2,-1.0 -3,-0.5 -3,-0.2 0.886 52.2 159.1 67.4 37.2 33.0 26.3 36.2 610 319 B I < + 0 0 6 -5,-2.2 2,-0.4 -6,-0.1 -1,-0.2 -0.840 16.1 178.4 -93.8 100.9 32.9 23.2 38.3 611 320 B R - 0 0 181 -2,-1.0 2,-0.1 -115,-0.2 -113,-0.0 -0.882 17.7-143.1-105.3 133.7 36.1 23.5 40.3 612 321 B F 0 0 62 -2,-0.4 -208,-0.0 1,-0.1 -115,-0.0 -0.369 360.0 360.0 -84.1 168.8 37.2 20.9 42.9 613 322 B E 0 0 158 -2,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.911 360.0 360.0 -67.5 360.0 39.0 21.7 46.3